1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one

C20H35N3O2 — CID 58820547

IUPAC1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CC2CCCCC2)C12CCN([C@@H]1CCCC[C@H]1O)CC2
InChIInChI=1S/C20H35N3O2/c24-18-9-5-4-8-17(18)22-12-10-20(11-13-22)19(25)21-15-23(20)14-16-6-2-1-3-7-16/h16-18,24H,1-15H2,(H,21,25)/t17-,18-/m1/s1
InChIKeyQYWGNOFFZSRRSI-QZTJIDSGSA-N
MW349.52 g/mol
LogP2.09
Rot. Bonds3

About 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one

1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 58820547) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID58820547
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CC2CCCCC2)C12CCN([C@@H]1CCCC[C@H]1O)CC2
InChIInChI=1S/C20H35N3O2/c24-18-9-5-4-8-17(18)22-12-10-20(11-13-22)19(25)21-15-23(20)14-16-6-2-1-3-7-16/h16-18,24H,1-15H2,(H,21,25)/t17-,18-/m1/s1
InChIKeyQYWGNOFFZSRRSI-QZTJIDSGSA-N
XLogP2.09
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 58820547) is 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(CC2CCCCC2)C12CCN([C@@H]1CCCC[C@H]1O)CC2.
What is the InChIKey of 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is QYWGNOFFZSRRSI-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H35N3O2/c24-18-9-5-4-8-17(18)22-12-10-20(11-13-22)19(25)21-15-23(20)14-16-6-2-1-3-7-16/h16-18,24H,1-15H2,(H,21,25)/t17-,18-/m1/s1.
What are the key properties of 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 349.52 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 58820547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).